1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine

C26H28F2N2O — CID 12634879

IUPAC1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28F2N2O/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)31-19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2
InChIKeyPEISWOHNLQWAFV-UHFFFAOYSA-N
MW422.52 g/mol
LogP4.89
Rot. Bonds8

About 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine

1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine (PubChem CID 12634879) has the molecular formula C26H28F2N2O and a molecular weight of 422.52 g/mol. Its IUPAC name is 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
PubChem CID12634879
Molecular FormulaC26H28F2N2O
Molecular Weight422.52 g/mol
Exact Mass422.22
IUPAC Name1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28F2N2O/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)31-19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2
InChIKeyPEISWOHNLQWAFV-UHFFFAOYSA-N
XLogP4.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine (CID 12634879) is 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine is Fc1ccc(C(OCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The InChIKey is PEISWOHNLQWAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)31-19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2.
What are the key properties of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine has a molecular weight of 422.52 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 12634879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).